N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C15H30N2O3 — CID 104562707

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCOCCOCCOCCNC1CCN2CCCC2C1
InChIInChI=1S/C15H30N2O3/c1-18-9-10-20-12-11-19-8-5-16-14-4-7-17-6-2-3-15(17)13-14/h14-16H,2-13H2,1H3
InChIKeyLGRUTKAMMGHTCK-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.88
Rot. Bonds10

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 104562707) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID104562707
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCOCCOCCOCCNC1CCN2CCCC2C1
InChIInChI=1S/C15H30N2O3/c1-18-9-10-20-12-11-19-8-5-16-14-4-7-17-6-2-3-15(17)13-14/h14-16H,2-13H2,1H3
InChIKeyLGRUTKAMMGHTCK-UHFFFAOYSA-N
XLogP0.88
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7R,8aR)-N-[2-(3-methylbutoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 97236856
N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115894020
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide
CID 115765451
N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103033505
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119854359
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
CID 107270318
N-[2-(2-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847588
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol
CID 109395540
N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine
CID 79741587

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 104562707) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is COCCOCCOCCNC1CCN2CCCC2C1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is LGRUTKAMMGHTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-18-9-10-20-12-11-19-8-5-16-14-4-7-17-6-2-3-15(17)13-14/h14-16H,2-13H2,1H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 286.42 g/mol, XLogP of 0.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 104562707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).